Microstructure-Dependent Rate Theory Model of Radiation-Induced Segregation in Binary Alloys

Hu, Shenyang; Li, Yulan; Burkes, Douglas; Senor, David J.

doi:10.3389/fmats.2021.682686

Microstructure-Dependent Rate Theory Model of Radiation-Induced Segregation in Binary Alloys

Journal Article · Mon May 31 00:00:00 EDT 2021 · Frontiers in Materials

DOI:https://doi.org/10.3389/fmats.2021.682686· OSTI ID:1813591

^[1]; Li, Yulan ^[1]; Burkes, Douglas ^[1]; Senor, David J. ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Conventional rate theory often uses the mean field concept to describe the effect of inhomogeneous microstructures on the evolution of radiation induced defect and solute/fission product segregation. However, the spatial and temporal evolution of defects and solutes determines the formation and spatial distribution of radiation-induced second phase such as precipitates and gas bubbles/voids, especially in materials with complicated microstructures and subject to high dose radiation. In this work, a microstructure-dependent model of radiation-induced segregation (RIS) has been developed to investigate the effect of inhomogeneous thermodynamic and kinetics properties of defects on diffusion and accumulations of solute A in AB binary alloys. Four independent concentrations: atom A, interstitial A, interstitial B, and vacancy on [A, B] sublattice are used as field variables to describe temporal and spatial distribution and evolution of defects and solute A. The independent concentrations of interstitial A and interstitial B allow to describe their different generation rates, thermodynamic and kinetic properties, and release the assumptions of interstitial generation and sink strength used in the conventional rate theory. Microstructure and concentration dependent chemical potentials of defects are used to calculate the driving forces of defect diffusions. With the model, the effects of defect chemical potentials and mobilities on the RIS in polycrystalline AB model alloys have been simulated. The results demonstrated the model capability in predicting defect evolution in materials with inhomogeneous thermodynamic and kinetic properties of defects. The model can be extended to materials with complicated microstructures such as a wide range of grain size distribution, coating structure and multiphases as well as radiation-induced precipitation subject to severe radiation damage.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1813591

Report Number(s):: PNNL-SA--160737

Journal Information:: Frontiers in Materials, Journal Name: Frontiers in Materials Vol. 8; ISSN 2296-8016

Publisher:: Frontiers Research FoundationCopyright Statement

Country of Publication:: United States

Language:: English

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